.Dd Oct 10, 2019
.Os "Open Babel" 3.1
.Dt roundtrip 1 URM
.Sh NAME
.Nm roundtrip
.Nd a comparison program for testing roundtrip conversion
.Sh SYNOPSIS
.Nm
.Ar filename
.Ar filename
.Sh DESCRIPTION
The
.Nm
program is essentially a "chemical diff." That is,
it will return with an error if two files do not have the same
number of atoms, the same number of molecules, and where appropriate,
the same element and coordinates for each atom.
.Sh OPTIONS
If given two filenames,
.Nm
will guess the file format
from the extension.
.Sh EXAMPLES
.Pp
Compare two files created via a roundtrip test
.Dl "roundtrip 3d.sdf 3d.xyz"
.Sh SEE ALSO
.Xr obabel 1 .
.Pp
The web pages for Open Babel can be found at:
\%<\fBhttp://openbabel.org/\fR>
.Sh AUTHORS
.An -nosplit
Open Babel is developed by a cast of many, including current maintainers
.An Geoff Hutchison ,
.An Chris Morley ,
.An Michael Banck ,
and innumerable others who have contributed fixes and additions.
For more contributors to Open Babel, see
\%<\fBhttp://openbabel.org/wiki/THANKS\fR>
.Sh COPYRIGHT
Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.
.br
Some portions Copyright (C) 2001-2007 by Geoffrey R. Hutchison and
other contributors.
.Pp
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation version 2 of the License.
.Pp
This program is distributed in the hope that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
General Public License for more details.
